SCHEMBL2265444

SCHEMBL2265444

COc1ccc(C=CC(=O)Nc2cccc3cnn(Cc4ccccc4)c23)cc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCC4 O15439 1/20 0.50
HPGDS O60760 1/20 0.50
ABCB11 O95342 1/20 0.50
ALOX12 P18054 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2265437 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2258946 0.90 HDAC2 (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2258941 0.90 HDAC2 (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2263935 0.89 MAOA (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2263930 0.89 MAOA (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2261707 0.87 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2261715 0.87 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2263588 0.85 MEN1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2263594 0.85 MEN1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2260250 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349982-B1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA S R L (IT) 2015-08-05 EP disclosed
US-8669261-B2 Acrylomido derivatives useful as inhibitors of the mitochondrial permeability transition Congenia SLR (IT) 2014-03-11 US disclosed
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2013-09-19 US disclosed
US-8470831-B2 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Cogenia SRL (IT) 2013-06-25 US disclosed
US-20110195977-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2011-08-11 US disclosed
EP-2349982-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION Congenia S.r.l. (IT) 2011-08-03 EP disclosed
WO-2010049768-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION CONGENIA SRL (IT) 2010-05-06 WO disclosed
EP-2179984-A1 Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition Congenia S.r.l. (IT) 2010-04-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195977-A1 ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 ALDH1A1 505/4885MEN1 4861/4885KMT2A 4824/4885
US-20130245019-A1 ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION AIFM1, TFAM, NDUFAB1 ALDH1A1 437/4885MEN1 4863/4885KMT2A 4857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.